[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate

C19H16FNO4S — CID 8549695

IUPAC[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)c(O)c1
InChIInChI=1S/C19H16FNO4S/c1-12-2-7-16(17(22)8-12)19(23)25-9-14-11-26-18(21-14)10-24-15-5-3-13(20)4-6-15/h2-8,11,22H,9-10H2,1H3
InChIKeyBBSMOBXONGXAOS-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.23
Rot. Bonds6

About [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate

[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate (PubChem CID 8549695) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate
PubChem CID8549695
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Name[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)c(O)c1
InChIInChI=1S/C19H16FNO4S/c1-12-2-7-16(17(22)8-12)19(23)25-9-14-11-26-18(21-14)10-24-15-5-3-13(20)4-6-15/h2-8,11,22H,9-10H2,1H3
InChIKeyBBSMOBXONGXAOS-UHFFFAOYSA-N
XLogP4.23
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-Methyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 2561884
2-Hydroxy-4-methoxybenzoic acid (2-methyl-4-thiazolyl)methyl ester
CID 2475805
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate
CID 2393742
3-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzoic acid
CID 7131859
US20230348450, Example 108
CID 162757132
(2-Methyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate
CID 72026232
2-[(2-Methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 4962844
2-((1,3-Thiazol-4-yl)methoxy)benzoic acid
CID 7130681
3-[[2-(2-Fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzoic acid
CID 19901155
2-(4',5'-Difluoro-2'-methoxy-biphenyl-4-yloxymethyl)-thiazole-4-carboxylic acid
CID 58271197
4-(2-{2-[(2-Tert-butoxy-1,1-dimethyl-2-oxoethyl)thio]-1,3-thiazol-4-yl}ethoxy)-4'-fluoro-biphenyl-3-carboxylic acid methyl ester
CID 59758832
4'-Fluoro-4-(2-{2-[(2-tert-butoxy-1,1-dimethyl-2-oxoethyl)thio]-1,3-thiazol-4-yl}ethoxy)biphenyl-3-carboxylic acid
CID 59759162

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate (CID 8549695) is [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)c(O)c1.
What is the InChIKey of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate?
The InChIKey is BBSMOBXONGXAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c1-12-2-7-16(17(22)8-12)19(23)25-9-14-11-26-18(21-14)10-24-15-5-3-13(20)4-6-15/h2-8,11,22H,9-10H2,1H3.
What are the key properties of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate?
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate has a molecular weight of 373.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 8549695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).